>compound (2R)-2-Hydroxybut-3-enylglucosinolate_(2R)-2-Hydroxybut-3-enylglucosinolate
#instrument UPLC Q-Tof Premier, Waters
>formula C11H19NO10S2
#smiles C=CC(O)CC(=NOS(O)(=O)=O)SC(O1)C(O)C(O)C(O)C(CO)1
#RECORD LC-ESI-QTOF_train_data/PR100427.txt;LC-ESI-QTOF_train_data/PR100884.txt
>charge 1
>ionization [M+K]+
>parentmass 428.00872

>collision 5-60
98.9655 23.28
158.9809 19.42
234.971 9.89
348.0114 18.76
371.9337 11.84
427.0938 49.06
428.0928 24.49

>collision 5-60
63.9656 1.941
71.9916 2.059
79.953 1.613
95.9553 1.335
96.8322 1.521
96.9578 8.597
98.9543 1.011
134.9138 9.064
135.9741 2.249
161.9234 1.193
167.8958 1.15
207.9108 6.254
245.9359 1.998
263.9386 10.57
425.9931 1.436

